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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:sapacitabine
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Accession:CHEBI:145429 term browser browse the term
Definition:A nucleoside analogue resulting from the formal condensation of the carboxy group of hexadecanoic acid with the amino group of CNDAC. It is the prodrug of CNDAC and is currently in clinical development for the treatment of acute myeloid leukemia (AML).
Synonyms:exact_synonym: 1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-4-(hexadecanoylamino)pyrimidin-2(1H)-one
 related_synonym: CS-682;   CS682;   CYC 682;   CYC682;   Formula=C26H42N4O5;   InChI=1S/C26H42N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32)28-22-16-17-30(26(34)29-22)25-20(18-27)24(33)21(19-31)35-25/h16-17,20-21,24-25,31,33H,2-15,19H2,1H3,(H,28,29,32,34)/t20-,21+,24-,25+/m0/s1;   InChIKey=LBGFKUUHOPIEMA-PEARBKPGSA-N;   N-(1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl)hexadecanamide;   N-[1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-4-yl]hexadecanamide;   PCNDAC;   SMILES=O1[C@@H]([C@H]([C@@H]([C@@H]1N2C(N=C(C=C2)NC(CCCCCCCCCCCCCCC)=O)=O)C#N)O)CO;   sapacitabina;   sapacitabinum
 xref: CAS:151823-14-2;   DrugBank:DB06365;   KEGG:D09722;   PMID:16502355;   PMID:16788861;   PMID:17637678;   PMID:22329458;   PMID:22404148;   PMID:22739266;   PMID:23075701;   PMID:24790002;   PMID:24851045;   PMID:25676423;   PMID:26523431;   PMID:28802254;   PMID:30222471;   PMID:9989668;   Wikipedia:Sapacitabine


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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        biochemical role 19496
          antimetabolite 10272
            sapacitabine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbohydrates and carbohydrate derivatives 15269
                                    carbohydrate 15284
                                      carbohydrate derivative 14290
                                        glycosyl compound 13035
                                          N-glycosyl compound 5808
                                            nucleoside 5662
                                              deoxyribonucleoside 2870
                                                2'-deoxyribonucleoside 2248
                                                  pyrimidine 2'-deoxyribonucleoside 353
                                                    CNDAC 0
                                                      sapacitabine 0
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